* LIGAND DATABASE FILE (OPLS2005)
*
001     105   109    209    345     637
    1     0 S   NP   _N1_     1    28.74038    94.66901   -23.89562
    2     1 S   H    _HN1     2     1.02951    81.73018    20.45882
    3     1 S   H    _H1_     3     1.02829    28.02367   175.28258
    4     1 S   H    _H2_     4     1.02784   105.87260   -86.36329
    5     1 S   CT   _CA1     5     1.50107   132.78702   130.68062
    6     5 S   HC   _HA1     6     1.09573   105.21549    79.90162
    7     5 S   CO3  _C1_     7     1.53797   112.41651   -40.35854
    8     7 S   O2Z  _O11     8     1.26372   115.01100   -43.67918
    9     7 S   O2Z  _O12     9     1.26239   114.94137   135.46840
   10     5 S   CT   _CB1    10     1.53082   107.42527  -162.12322
   11    10 S   HC   HB11    11     1.09830   109.40235   -49.90145
   12    10 S   HC   HB12    12     1.09814   110.43586    66.70789
   13    10 S   CT   _CG1    13     1.52984   112.58976  -170.89329
   14    13 S   HC   HG11    14     1.09589   110.58775   -64.56870
   15    13 S   HC   HG12    15     1.09666   109.83962    54.66120
   16    13 S   C    _CD1    16     1.51795   112.26653   175.11581
   17    16 S   O    _OE1    17     1.22727   123.30332     4.49113
   18    16 S   N    _N2_    18     1.38644   111.63334  -175.62753
   19    18 S   H    _HN2    19     1.01582   118.94706     1.93158
   20    18 S   CT1  _CA2    20     1.46213   123.39565   178.31577
   21    20 S   HC   _HA2    21     1.09739   109.40677     0.40300
   22    20 S   C    _C2_    22     1.53510   108.50159  -115.09291
   23    22 S   O    _O2_    23     1.23048   122.31615  -147.39929
   24    20 S   CT   _CB2    32     1.53498   111.51921   122.45980
   25    24 S   HC   HB21    33     1.09349   109.49150    57.02483
   26    24 S   HC   HB22    34     1.09440   109.55045   175.89020
   27    22 S   N    _N3_    24     1.38340   113.63823    40.02112
   28    27 S   H    _HN3    25     1.01599   119.57109    -3.39194
   29    24 S   S    _SG2    35     1.82883   111.01157   -64.97662
   30    27 S   CT   _CA3    26     1.45285   123.17155   177.08221
   31    30 S   HC   HA31    27     1.09550   107.51145   -64.39386
   32    30 S   HC   HA32    28     1.09557   107.97625    52.03304
   33    29 S   CT   _C24    36     1.86069   103.15305   166.99103
   34    30 S   CO3  _C3_    29     1.52949   114.10517   174.02588
   35    34 S   O2Z  _O31    30     1.26372   116.06921    -0.80988
   36    34 S   O2Z  _O32    31     1.26430   114.41030   179.25323
   37    33 S   CT   _C23    37     1.54045   113.13000    48.00476
   38    37 S   HC   _H23    38     1.09361   113.17030   -48.07204
   39    37 S   HC   _H24    39     1.09877   110.09645  -165.74545
   40    33 S   CT   _C25   102     1.54955   106.49631   -69.20826
   41    40 S   HC   _H25   103     1.09497   113.00323   -48.38780
   42    40 S   HC   _H26   104     1.09672   110.70978  -168.75656
   43    40 S   HC   _H27   105     1.09544   111.98687    72.90496
   44    37 S   CO4  _C22    40     1.50485   112.17665    76.50305
   45    44 S   O    _O36    41     1.22939   121.57190  -125.90029
   46    44 S   CT   _C21    42     1.52250   115.25930    56.67597
   47    46 S   HC   _H10    43     1.09695   106.30219    58.49834
   48    46 S   CT   _C20    44     1.56969   110.72251   -60.84058
   49    46 S   OH   _O37   100     1.41200   108.50339   172.19468
   50    49 S   HO   _H28   101     0.97163   108.63091    66.44026
   51    33 S   CT   _C19    45     1.58671   111.28096   171.30518
   52    51 S   HC   _H9_    46     1.10241   102.99856   171.11617
   53    48 S   CT   _C26    96     1.55104   108.68045   -66.22028
   54    53 S   HC   _H29    97     1.09014   113.02539   164.88778
   55    53 S   HC   _H30    98     1.09315   112.03463    44.16672
   56    53 S   HC   _H31    99     1.09084   113.24754   -73.41071
   57    51 S   CT   _C18    47     1.54446   114.29306    56.85957
   58    57 S   HC   _H21    48     1.09276   111.82118   -76.09229
   59    57 S   HC   _H22    49     1.09471   110.12319    41.72475
   60    57 S   CT   _C17    50     1.52901   110.41314   160.10842
   61    60 S   HC   _H8_    51     1.09762   108.19588   178.47851
   62    60 S   CT   _C15    52     1.52537   113.54053    56.09475
   63    62 S   CT   _C16    53     1.53929   111.93624    72.11794
   64    63 S   HC   _H19    54     1.09127   113.88647   -35.77337
   65    63 S   HC   _H20    55     1.09524   113.12304    85.56433
   66    62 S   CT   _C10    64     1.57905   108.00056  -168.24897
   67    66 S   HC   _H4_    65     1.10220   107.36946   -58.75156
   68    63 S   OS   _O35    56     1.43831   106.51263  -154.55472
   69    66 S   CT   _C9_    66     1.53888   110.22371    55.89242
   70    69 S   HC   _H3_    67     1.09291   111.07895    68.10352
   71    68 S   CO   _C13    57     1.44507   108.25881     3.25257
   72    69 S   CO4  _C27    68     1.51862   111.93767   -52.65506
   73    72 S   O    _O39    69     1.22793   123.41339  -144.21067
   74    69 S   OS   _O34    71     1.44676   110.87208  -169.21800
   75    48 S   CT   _C14    58     1.60981   109.14354   170.53739
   76    75 S   HC   _H7_    59     1.09408   104.37246   -36.25898
   77    71 S   CT   _C12    60     1.54916   107.24740   -92.65654
   78    77 S   HC   _H6_    61     1.09809   108.30322   -64.14407
   79    60 S   OS   _O38    70     1.44779   104.91788   -68.78458
   80    74 S   CO4  _C8_    72     1.37073   117.27364  -153.80219
   81    80 S   O    _O33    73     1.22556   124.89144     8.08770
   82    71 S   OH   _O40    94     1.41495   110.75738   148.81475
   83    82 S   HO   _H32    95     0.97107   108.79013    88.14129
   84    77 S   CT   _C11    62     1.54096   112.52360    54.20473
   85    84 S   HC   _H5_    63     1.10032   105.40418   -74.68870
   86    80 S   CT   _C6_    74     1.53160   110.94496  -170.94011
   87    77 S   OH   _O41    92     1.42554   110.88648  -179.13069
   88    87 S   HO   _H33    93     0.96937   109.37997   -73.37747
   89    86 S   CT   _C7_    75     1.53088   110.12734    53.19319
   90    89 S   HC   _H16    76     1.09594   110.97942   172.71608
   91    89 S   HC   _H17    77     1.09624   110.73143    54.57788
   92    89 S   HC   _H18    78     1.09499   112.06054   -66.10323
   93    86 S   CT   _C5_    79     1.53689   111.87754   -70.80716
   94    93 S   HC   _H14    80     1.09490   110.40807    59.25371
   95    93 S   HC   _H15    81     1.09772   109.21870   176.31544
   96    86 S   OH   _O42    86     1.42757   107.11693   169.61480
   97    96 S   HO   _H37    87     0.97243   108.10906   178.58294
   98    84 S   CT   _C28    88     1.52537   111.63900   172.95995
   99    98 S   HC   _H34    89     1.09201   112.14098   -62.76229
  100    98 S   HC   _H35    90     1.09396   110.61180   174.92032
  101    98 S   HC   _H36    91     1.09591   110.34313    56.55033
  102    93 S   CT   _C4_    82     1.52542   113.86352   -63.98787
  103   102 S   HC   _H11    83     1.09446   111.28399   -62.11428
  104   102 S   HC   _H12    84     1.09482   109.92752   178.68463
  105   102 S   HC   _H13    85     1.09345   111.71035    59.00627
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  19   2   1   1  15   6   5   8   3   2   1   9   4  15   6  21
   4   1  15   6   8   3   2   1  10   5   4  16   6  19  13   5
   4  21   9   9  13   6  11   5   2   8   8   2  11   6   1  12
   4   3   1   7   5  13   2   1   9   4   3   2   8   6   5   2
   1   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    48    51    52    57    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    48    51    52    57    58    59    60    75    53    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    48    51    52    57    49    40    41    42    43  
   39    44    45    46    51    40  
   44    45    46    51    40  
   41    42    43    44    48    51    52    57  
   42    43    51  
   43    51  
   51  
   45    46    47    48    51    75    53    49    50  
   46    47    48    49  
   47    48    51    52    57    62    71    75    76    53    54    55    56    49    50  
   48    51    75    53    49    50  
   51    52    57    58    59    60    62    63    68    71    75    76    77    66    82    53    54    55    56    49    50  
   50    51    53    75  
    0  
   52    57    58    59    60    61    62    71    75    76    79    53    54    55    56  
   57    58    59    60    75    53  
   54    55    56    57    62    71    75    76  
   55    56    75  
   56    75  
   75  
   58    59    60    61    62    63    75    66    72    79  
   59    60    61    62    79  
   60    61    62    79  
   61    62    63    64    65    68    71    75    76    84    66    67    69    72    73    79  
   62    63    75    66    72    79  
   63    64    65    68    71    75    76    77    84    85    66    67    69    70    72    79    74    98    82  
   64    65    68    71    75    76    77    84    66    67    69    79    82  
   65    68    71    75    66  
   68    71    75    66  
   67    69    70    72    73    79    74    80    98    99   100   101    87    68    71    75    76    77    78    84    85  
   69    70    72    74    98    75    77    84    85  
   71    75    76    77    78    84    87    82    83  
   70    72    73    79    74    80    81    86    98    75    77    84    85  
   72    73    79    74    80    84  
   75    76    77    78    84    85    98    87    88    82    83  
   73    79    74    80    84  
   79    74  
   80    81    86    89    93    96    79    84  
   76    77    78    84    79    87    82    83  
   77    82  
   78    84    85    98    99   100   101    87    88    82    83  
   84    85    98    87    88    82  
    0  
   81    86    89    90    91    92    93    94    95   102    96    97  
   86    89    93    96  
   83    84    87  
    0  
   85    98    99   100   101    87    88  
   98    99   100   101    87  
   89    90    91    92    93    94    95   102   103   104   105    96    97  
   88    98  
    0  
   90    91    92    93    94    95   102    96    97  
   91    92    93    96  
   92    93    96  
   93    96  
   94    95   102   103   104   105    96    97  
   95   102   103   104   105    96  
  102   103   104   105    96  
   97   102  
    0  
   99   100   101  
  100   101  
  101  
    0  
  103   104   105  
  104   105  
  105  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    51   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   317.000  1.522
   44    45   570.000  1.229
   44    46   317.000  1.522
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    49   320.000  1.410
   48    51   268.000  1.529
   48    75   268.000  1.529
   48    53   268.000  1.529
   51    52   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    79   320.000  1.410
   62    63   268.000  1.529
   62    75   268.000  1.529
   62    66   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   320.000  1.410
   68    71   320.000  1.380
   71    75   250.000  1.527
   71    77   250.000  1.527
   71    82   380.000  1.407
   75    76   340.000  1.090
   77    78   340.000  1.090
   77    84   268.000  1.529
   77    87   320.000  1.410
   84    85   340.000  1.090
   84    66   268.000  1.529
   84    98   268.000  1.529
   66    67   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    72   317.000  1.522
   69    74   320.000  1.410
   72    73   570.000  1.229
   72    79   214.000  1.327
   74    80   214.000  1.327
   80    81   570.000  1.229
   80    86   317.000  1.522
   86    89   268.000  1.529
   86    93   268.000  1.529
   86    96   320.000  1.410
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   93    94   340.000  1.090
   93    95   340.000  1.090
   93   102   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
   96    97   553.000  0.945
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   87    88   553.000  0.945
   82    83   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   49    50   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    51    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    63.00000  111.10000
   33    51    48    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    57    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    80.00000  120.40000
   37    44    46    70.00000  116.00000
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    46    47    35.00000  109.50000
   44    46    48    63.00000  111.10000
   44    46    49    90.00000  109.61100
   46    44    45    80.00000  120.40000
   46    48    51    58.35000  112.70000
   46    48    75    58.35000  112.70000
   46    48    53    58.35000  112.70000
   46    49    50    55.00000  108.50000
   48    46    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    57    58.35000  112.70000
   48    75    62    58.35000  112.70000
   48    75    71    75.00000  109.43000
   48    75    76    37.50000  110.70000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    56    37.50000  110.70000
   51    33    37    58.35000  112.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    58.35000  112.70000
   57    51    52    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    58.35000  112.70000
   57    60    79    50.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    62    63    58.35000  112.70000
   60    62    75    58.35000  112.70000
   60    62    66    58.35000  112.70000
   60    79    72    83.00000  116.90000
   62    60    61    37.50000  110.70000
   62    63    64    37.50000  110.70000
   62    63    65    37.50000  110.70000
   62    63    68    50.00000  109.50000
   62    75    71    75.00000  109.43000
   62    75    76    37.50000  110.70000
   62    66    84    58.35000  112.70000
   62    66    67    37.50000  110.70000
   62    66    69    58.35000  112.70000
   63    68    71    60.00000  109.50000
   65    63    64    33.00000  107.80000
   68    63    64    35.00000  109.50000
   68    63    65    35.00000  109.50000
   68    71    75    90.00000  108.56700
   68    71    77    90.00000  108.56700
   68    71    82   110.00000  112.08000
   71    75    76    45.00000  108.72000
   71    77    78    45.00000  108.72000
   71    77    84    75.00000  109.43000
   71    77    87    90.00000  111.58700
   71    82    83    70.00000  107.92000
   75    48    51    58.35000  112.70000
   75    62    63    58.35000  112.70000
   77    71    75    65.00000  112.71400
   77    84    85    37.50000  110.70000
   77    84    66    58.35000  112.70000
   77    84    98    58.35000  112.70000
   77    87    88    55.00000  108.50000
   84    77    78    37.50000  110.70000
   84    66    67    37.50000  110.70000
   84    66    69    58.35000  112.70000
   84    98    99    37.50000  110.70000
   84    98   100    37.50000  110.70000
   84    98   101    37.50000  110.70000
   66    62    63    58.35000  112.70000
   66    62    75    58.35000  112.70000
   66    84    85    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    72    63.00000  111.10000
   66    69    74    50.00000  109.50000
   69    66    67    37.50000  110.70000
   69    72    73    80.00000  120.40000
   69    72    79    81.00000  111.40000
   69    74    80    83.00000  116.90000
   72    69    70    35.00000  109.50000
   79    60    61    35.00000  109.50000
   79    60    62    50.00000  109.50000
   79    72    73    83.00000  123.40000
   74    69    70    35.00000  109.50000
   74    69    72    90.00000  108.74100
   74    80    81    83.00000  123.40000
   74    80    86    81.00000  111.40000
   80    86    89    63.00000  111.10000
   80    86    93    63.00000  111.10000
   80    86    96    90.00000  109.61100
   86    80    81    80.00000  120.40000
   86    89    90    37.50000  110.70000
   86    89    91    37.50000  110.70000
   86    89    92    37.50000  110.70000
   86    93    94    37.50000  110.70000
   86    93    95    37.50000  110.70000
   86    93   102    58.35000  112.70000
   86    96    97    55.00000  108.50000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   93    86    89    58.35000  112.70000
   93   102   103    37.50000  110.70000
   93   102   104    37.50000  110.70000
   93   102   105    37.50000  110.70000
   95    93    94    33.00000  107.80000
  102    93    94    37.50000  110.70000
  102    93    95    37.50000  110.70000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
   96    86    89    50.00000  109.50000
   96    86    93    50.00000  109.50000
   98    84    85    37.50000  110.70000
   98    84    66    58.35000  112.70000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   87    77    78    35.00000  109.50000
   87    77    84    50.00000  109.50000
   82    71    75    90.00000  110.19100
   82    71    77    90.00000  110.19100
   53    48    51    58.35000  112.70000
   53    48    75    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   49    46    47    35.00000  109.50000
   49    46    48    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
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   79    60    62    75   0.27300  1.0 3.0
   79    60   -62    66   0.62750  1.0 1.0
   79    60   -62    66  -0.30950 -1.0 2.0
   79    60   -62    66   0.27300  1.0 3.0
   74    69    72    73   0.30150 -1.0 2.0
   74    69    72    79   0.40000  1.0 3.0
   74    80    86    89   0.36750  1.0 3.0
   74    80    86    93   0.36750  1.0 3.0
   74    80    86    96   0.30750  1.0 1.0
   74    80    86    96   1.13850 -1.0 2.0
   74    80    86    96   0.38850  1.0 3.0
   80    86    89    90  -0.11250  1.0 3.0
   80    86    89    91  -0.11250  1.0 3.0
   80    86    89    92  -0.11250  1.0 3.0
   80    86    93    94  -0.11250  1.0 3.0
   80    86    93    95  -0.11250  1.0 3.0
   80    86    93   102  -0.95700  1.0 1.0
   80    86    93   102  -0.18200 -1.0 2.0
   80    86    93   102   0.29450  1.0 3.0
   80    86    96    97   0.91850  1.0 1.0
   80    86    96    97   0.57950  1.0 3.0
   81    80    86    89   0.30150 -1.0 2.0
   81    80    86    93   0.30150 -1.0 2.0
   81    80    86    96   0.30150 -1.0 2.0
   86    93   102   103   0.15000  1.0 3.0
   86    93   102   104   0.15000  1.0 3.0
   86    93   102   105   0.15000  1.0 3.0
   89    86    93    94   0.15000  1.0 3.0
   89    86    93    95   0.15000  1.0 3.0
   89    86    93   102   0.56750  1.0 1.0
   89    86    93   102  -0.07550 -1.0 2.0
   89    86    93   102   0.20000  1.0 3.0
   89    86    96    97  -0.11600  1.0 1.0
   89    86    96    97  -0.09450 -1.0 2.0
   89    86    96    97   0.21250  1.0 3.0
   93    86    89    90   0.15000  1.0 3.0
   93    86    89    91   0.15000  1.0 3.0
   93    86    89    92   0.15000  1.0 3.0
   93    86    96    97  -0.11600  1.0 1.0
   93    86    96    97  -0.09450 -1.0 2.0
   93    86    96    97   0.21250  1.0 3.0
   94    93   102   103   0.15000  1.0 3.0
   94    93   102   104   0.15000  1.0 3.0
   94    93   102   105   0.15000  1.0 3.0
   95    93   102   103   0.15000  1.0 3.0
   95    93   102   104   0.15000  1.0 3.0
   95    93   102   105   0.15000  1.0 3.0
   96    86    89    90   0.23400  1.0 3.0
   96    86    89    91   0.23400  1.0 3.0
   96    86    89    92   0.23400  1.0 3.0
   96    86    93    94   0.23400  1.0 3.0
   96    86    93    95   0.23400  1.0 3.0
   96    86    93   102   0.86500  1.0 1.0
   96    86    93   102  -0.17500 -1.0 2.0
   96    86    93   102   0.20800  1.0 3.0
   98    84    66    62   0.56750  1.0 1.0
   98    84    66    62  -0.07550 -1.0 2.0
   98    84    66    62   0.20000  1.0 3.0
   98    84    66    67   0.15000  1.0 3.0
   98    84    66    69   0.56750  1.0 1.0
   98    84    66    69  -0.07550 -1.0 2.0
   98    84    66    69   0.20000  1.0 3.0
   87    77    84    85   0.23400  1.0 3.0
   87    77    84    66   0.86500  1.0 1.0
   87    77    84    66  -0.17500 -1.0 2.0
   87    77    84    66   0.20800  1.0 3.0
   87    77    84    98   0.86500  1.0 1.0
   87    77    84    98  -0.17500 -1.0 2.0
   87    77    84    98   0.20800  1.0 3.0
   82    71    75    48   0.86500  1.0 1.0
   82    71    75    48  -0.17500 -1.0 2.0
   82    71    75    48   0.20800  1.0 3.0
   82    71    75    62   0.86500  1.0 1.0
   82    71    75    62  -0.17500 -1.0 2.0
   82    71    75    62   0.20800  1.0 3.0
   82    71    75    76   0.23400  1.0 3.0
   82    71    77    78   0.23400  1.0 3.0
   82    71    77    84   0.86500  1.0 1.0
   82    71    77    84  -0.17500 -1.0 2.0
   82    71    77    84   0.20800  1.0 3.0
   82    71    77    87   3.75450  1.0 1.0
   53    48    51    33   0.56750  1.0 1.0
   53    48    51    33  -0.07550 -1.0 2.0
   53    48    51    33   0.20000  1.0 3.0
   53    48    51    52   0.15000  1.0 3.0
   53    48    51    57   0.56750  1.0 1.0
   53    48    51    57  -0.07550 -1.0 2.0
   53    48    51    57   0.20000  1.0 3.0
   53    48    75    62   0.56750  1.0 1.0
   53    48    75    62  -0.07550 -1.0 2.0
   53    48    75    62   0.20000  1.0 3.0
   53    48    75    71   3.97050  1.0 1.0
   53    48    75    76   0.15000  1.0 3.0
   49    46    48    51   0.86500  1.0 1.0
   49    46    48    51  -0.17500 -1.0 2.0
   49    46    48    51   0.20800  1.0 3.0
   49    46    48    75   0.86500  1.0 1.0
   49    46    48    75  -0.17500 -1.0 2.0
   49    46    48    75   0.20800  1.0 3.0
   49    46    48    53   0.86500  1.0 1.0
   49    46    48    53  -0.17500 -1.0 2.0
   49    46    48    53   0.20800  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44  -0.95700  1.0 1.0
   40    33    37    44  -0.18200 -1.0 2.0
   40    33    37    44   0.29450  1.0 3.0
   40    33    51    48   0.56750  1.0 1.0
   40    33    51    48  -0.07550 -1.0 2.0
   40    33    51    48   0.20000  1.0 3.0
   40    33    51    52   0.15000  1.0 3.0
   40    33    51    57   0.56750  1.0 1.0
   40    33    51    57  -0.07550 -1.0 2.0
   40    33    51    57   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    46    44    45  10.50000 -1.0 2.0
   69    79    72    73  10.50000 -1.0 2.0
   74    86    80    81  10.50000 -1.0 2.0
END
